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Substance Name: Insulin, gln(B13)-
RN: 72751-52-1
InChIKey: JXLGKBROUKYWBS-FHFVDXKLSA-N

Molecular Formula

  • C257-H384-N66-O76-S6

Molecular Weight

  • 5806.6426
 
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Names and Synonyms

Name of Substance

  • Insulin, gln(B13)-

Synonyms

  • B13-Gln-insulin
  • B13-Glutamine-insulin
  • Insulin, glutamine(B13)-

Systematic Name

  • Insulin (ox), 8A-L-threonine-10A-L-isoleucine-13B-L-glutamine-30B-L-threonine-

Registry Numbers

CAS Registry Number

  • 72751-52-1

System Generated Number

  • 0072751521

Structure Descriptors

InChI

1S/C257H384N66O76S6/c1-29-131(23)205(314-194(341)104-259)252(393)318-204(130(21)22)248(389)289-159(75-82-200(349)350)217(358)283-157(72-79-190(264)337)221(362)309-183-116-403-404-117-184-243(384)306-178(111-325)240(381)295-162(88-123(7)8)225(366)296-168(95-140-53-61-146(330)62-54-140)228(369)284-155(70-77-188(262)335)218(359)291-161(87-122(5)6)223(364)286-158(74-81-199(347)348)220(361)303-174(101-191(265)338)235(376)299-170(97-142-57-65-148(332)66-58-142)231(372)310-182(242(383)305-176(255(396)397)103-193(267)340)115-402-401-114-181(214(355)274-107-195(342)279-153(73-80-198(345)346)216(357)282-151(51-42-84-272-257(268)269)212(353)273-108-196(343)280-166(93-138-46-36-32-37-47-138)227(368)298-167(94-139-48-38-33-39-49-139)230(371)300-171(98-143-59-67-149(333)68-60-143)238(379)321-208(135(27)328)254(395)323-85-43-52-186(323)246(387)287-152(50-40-41-83-258)222(363)322-209(136(28)329)256(398)399)312-250(391)203(129(19)20)317-236(377)164(90-125(11)12)293-229(370)169(96-141-55-63-147(331)64-56-141)297-224(365)160(86-121(3)4)290-210(351)133(25)278-215(356)154(69-76-187(261)334)288-247(388)202(128(17)18)316-237(378)165(91-126(13)14)294-233(374)173(100-145-106-271-120-277-145)302-239(380)177(110-324)281-197(344)109-275-213(354)180(113-400-405-118-185(311-244(183)385)245(386)320-207(134(26)327)253(394)307-179(112-326)241(382)319-206(132(24)30-2)251(392)313-184)308-226(367)163(89-124(9)10)292-232(373)172(99-144-105-270-119-276-144)301-219(360)156(71-78-189(263)336)285-234(375)175(102-192(266)339)304-249(390)201(127(15)16)315-211(352)150(260)92-137-44-34-31-35-45-137/h31-39,44-49,53-68,105-106,119-136,150-186,201-209,324-333H,29-30,40-43,50-52,69-104,107-118,258-260H2,1-28H3,(H2,261,334)(H2,262,335)(H2,263,336)(H2,264,337)(H2,265,338)(H2,266,339)(H2,267,340)(H,270,276)(H,271,277)(H,273,353)(H,274,355)(H,275,354)(H,278,356)(H,279,342)(H,280,343)(H,281,344)(H,282,357)(H,283,358)(H,284,369)(H,285,375)(H,286,364)(H,287,387)(H,288,388)(H,289,389)(H,290,351)(H,291,359)(H,292,373)(H,293,370)(H,294,374)(H,295,381)(H,296,366)(H,297,365)(H,298,368)(H,299,376)(H,300,371)(H,301,360)(H,302,380)(H,303,361)(H,304,390)(H,305,383)(H,306,384)(H,307,394)(H,308,367)(H,309,362)(H,310,372)(H,311,385)(H,312,391)(H,313,392)(H,314,341)(H,315,352)(H,316,378)(H,317,377)(H,318,393)(H,319,382)(H,320,386)(H,321,379)(H,322,363)(H,345,346)(H,347,348)(H,349,350)(H,396,397)(H,398,399)(H4,268,269,272)/t131-,132-,133-,134+,135+,136+,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,201-,202-,203-,204-,205-,206-,207-,208-,209-/m0/s1

InChIKey

JXLGKBROUKYWBS-FHFVDXKLSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc4ccccc4)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc5cnc[nH]5)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc8ccc(O)cc8)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](CC(=O)N)C(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc9ccccc9)C(=O)N[C@@H](Cc%10ccccc%10)C(=O)N[C@@H](Cc%11ccc(O)cc%11)C(=O)N[C@@H]([C@@H](C)O)C(=O)N%12CCC[C@H]%12C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC1=O)[C@@H](C)O)[C@@H](C)CC